Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D31B4839S8
EPA CompTox DTXSID10194348

Structure

InChI Key FAMRKDQNMBBFBR-UHFFFAOYSA-N
Smiles O=C(N=NC(=O)OCC)OCC
InChI
InChI=1/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N2O4
Molecular Weight 174.06
AlogP 1.75
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 77.32
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 4143-61-7
NORMAN SUSDAT
FDA SRS D31B4839S8
PubChem 220568